1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene

C13H7Cl5 — CID 63436330

IUPAC1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene
SMILESClc1ccc(Cl)c(C(Cl)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H7Cl5/c14-7-4-5-10(15)9(6-7)12(17)8-2-1-3-11(16)13(8)18/h1-6,12H
InChIKeyKRNRIUSJJYARBI-UHFFFAOYSA-N
MW340.46 g/mol
LogP6.63
Rot. Bonds2

About 1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene

1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene (PubChem CID 63436330) has the molecular formula C13H7Cl5 and a molecular weight of 340.46 g/mol. Its IUPAC name is 1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene
PubChem CID63436330
Molecular FormulaC13H7Cl5
Molecular Weight340.46 g/mol
Exact Mass337.90
IUPAC Name1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene
SMILESClc1ccc(Cl)c(C(Cl)c2cccc(Cl)c2Cl)c1
InChIInChI=1S/C13H7Cl5/c14-7-4-5-10(15)9(6-7)12(17)8-2-1-3-11(16)13(8)18/h1-6,12H
InChIKeyKRNRIUSJJYARBI-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.46
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1,4-dichloro-2-[chloro-(2-chlorophenyl)methyl]benzene
CID 55200431
1,4-dichloro-2-[chloro-(2-chloro-3-fluorophenyl)methyl]benzene
CID 81461610
1,4-dichloro-2-[chloro-(2-iodophenyl)methyl]benzene
CID 63436203
1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63436201
1,4-dichloro-2-[chloro-(3-chlorophenyl)methyl]benzene
CID 63436332
1,4-dichloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene
CID 63436291
1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene
CID 79592810
2-[bromo-(2-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 55198018
1,2-dichloro-3-[chloro-(4-propan-2-ylphenyl)methyl]benzene
CID 55199111
1-chloro-2-[chloro-(3-chlorophenyl)methyl]benzene
CID 14417332
4-chloro-1-fluoro-2-propan-2-ylbenzene;4-chloro-2-fluoro-1-propan-2-ylbenzene;1,2-dichloro-3-propan-2-ylbenzene;1,4-dichloro-2-propan-2-ylbenzene;2,4-dichloro-1-propan-2-ylbenzene
CID 162239792
3-[chloro-(2,5-dichlorophenyl)methyl]-4-methylthiophene
CID 79807821

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene?
The IUPAC name of 1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene (CID 63436330) is 1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene.
What is the SMILES notation for 1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene?
The canonical SMILES for 1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene is Clc1ccc(Cl)c(C(Cl)c2cccc(Cl)c2Cl)c1.
What is the InChIKey of 1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene?
The InChIKey is KRNRIUSJJYARBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl5/c14-7-4-5-10(15)9(6-7)12(17)8-2-1-3-11(16)13(8)18/h1-6,12H.
What are the key properties of 1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene?
1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene has a molecular weight of 340.46 g/mol, XLogP of 6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-[chloro-(2,5-dichlorophenyl)methyl]benzene is sourced from PubChem (CID 63436330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).